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If you plan to use AutoDock for commercial purposes we encourage donations to the Olson Laboratory to help support further development of the AutoDock suite of programs. This page provides the downloads for the stable AutoDock4 version (v4.2.6) but we encourage.
Current distributions of AutoDock consist of two generations of software: AutoDock 4 and AutoDock Vina. More recently, we developed AutoDock-GPU , an accelerated version of AutoDock4 that is hundreds of times faster than the original single-CPU docking code.
AutoDock4 is a computational docking program based on an empirical free energy force field and rapid Lamarckian genetic algorithm search method.
AutoDock4.2.6 features improved input checking and an output format suitable for automated analysis. Multiple search methods can be used in a single AutoDock4.2.6 job. AutoDock 4.2.6 is available for more platforms. The process of compiling new atomic parameter tables into AutoDock and AutoGrid is documented in the README file.
Jul 28, 2014 · AutoDock calculations are performed in several steps: 1) preparation of coordinate files using AutoDockTools, 2) precalculation of atomic affinities using AutoGrid, 3) docking of ligands using AutoDock, and 4) analysis of results using AutoDockTools. Step 1—Coordinate File Preparation.
AutoDock is a molecular modeling simulation software. It is especially effective for protein-ligand docking. AutoDock 4 is available under the GNU General Public License. AutoDock is one of the most cited docking software applications in the research community. [1]
AutoDock is a suite of automated docking tools. It is designed to. predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. AutoDock actually consists of two main programs: AutoDock performs. the docking of the ligand to a set of grids describing the target.
are output as AutoDock parses the input files and reports what it finds. For example, when AutoDock opens each AutoGrid map, it reports opening the map file and how many data points it read in. When it parses the input ligand file, it reports building various internal data structures. After the input phase, AutoDock begins the specified number of
AutoDock 4 performs the docking of the ligand to a set of grid maps describing the target protein. These grids are pre-calculated by autogird4. The search space is defined by these grids in terms of grid points, grid spacing, and grid center. AutoDock Vina does not require pre-calculating grid maps.
Apr 27, 2009 · AutoDock4 uses a semiempirical free energy force field to predict binding free energies of small molecules to macromolecular targets.
